Chemical Properties of Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2

Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2

InChI
InChI=1S/C20H36O2/c1-13(19(21)22-6)9-10-16-14(2)12-18-17(15(16)3)8-7-11-20(18,4)5/h13-18H,7-12H2,1-6H3/t13?,14-,15+,16+,17?,18?/m0/s1
InChI Key
XAANMZRQACCOLT-YCDVRKMZSA-N
Formula
C20H36O2
SMILES
COC(=O)C(C)CCC1C(C)CC2C(CCCC2(C)C)C1C
Molecular Weight1
308.50
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 34.26 kJ/mol Joback Calculated Property
logPoct/wat 5.310 Crippen Calculated Property
McVol 278.380 ml/mol McGowan Calculated Property
Inp [1770.00; 1770.00]   Show Hide
Inp 1770.00 NIST
Inp 1770.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [384.46; 1060.35] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.38768e+02
Coefficient B2.30432e+00
Coefficient C-1.53860e-03
Coefficient D4.33400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 384.46 J/mol×K 273.00 Calculated Property
Cp,gas 503.07 J/mol×K 353.78 Calculated Property
Cp,gas 607.61 J/mol×K 434.56 Calculated Property
Cp,gas 699.43 J/mol×K 515.33 Calculated Property
Cp,gas 779.93 J/mol×K 596.11 Calculated Property
Cp,gas 850.46 J/mol×K 676.89 Calculated Property
Cp,gas 912.40 J/mol×K 757.67 Calculated Property
Cp,gas 967.11 J/mol×K 838.44 Calculated Property
Cp,gas 1015.97 J/mol×K 919.22 Calculated Property
Cp,gas 1060.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 1. Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 1. Methyl cyclohexanecarboxylate, 4-(1,1-dimethylethyl), # 2. 22S-epi-28-Norhopanoic acid methyl ester. 22R-epi-28-Norhopanoic acid methyl ester. 22R-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. methyl 3,3-dimethylcyclohexanecarboxylate. Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester. METHYL 2,6,10-TRIMETHYLTRIDECANOATE. methyl 2,5-dimethylhexanoate. Cyclohexaneacetic acid, α-ethyl-, methyl ester. Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester.

Find more compounds similar to Decalin-6«beta»-butanoic acid, «alpha»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.